(4-Propylphenyl)boronic acid

Basic Information

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CAS Number

134150-01-9

Molecular Formula

C9H13BO2

Molecular Weight

164.01 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

89-97 °C

Boiling Point

299.1°C at 760 mmHg

Density

1.0500

Flash Point

134.7±25.4 °C

Refractive Index

1.516

SMILES

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B(C1=CC=C(C=C1)CCC)(O)O

InChI

InChI=1S/C9H13BO2/c1-2-3-8-4-6-9(7-5-8)10(11)12/h4-7,11-12H,2-3H2,1H3

InChIKey

WLCGYIWOKVWFLB-UHFFFAOYSA-N

LogP

0.3189

Topological Polar Surface Area

40.46 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

120

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

4-Propylphenyl boronic acid
AC-24817
4-N-PROPYLPHENYLBORONIC ACID
BCP22762
p-n-propylphenyl boronic acid
4-propylbenzeneboronic acid
BP-11441
4-n-Propyl Benzoboric Acid
CHEMBL1952295
4-Propylphenylboronicacid
4-Propylphenylboronic acid
MFCD00859261
AKOS004116362
HY-W015380
(4-propylphenyl)boronic Acid
AM803163
WLCGYIWOKVWFLB-UHFFFAOYSA-N
BDBM50364282
Boronic acid, (4-propylphenyl)-
134150-01-9
AB07462
BCP9000144
DTXSID00399320
FT-0601421
EN300-117472
SY021200
4-(Propyl)benzeneboronic acid
Z336079950
4-propyl phenylboronic acid
4-n-propyl-phenyl boronic acid
CS-W016096

MDL Number

MFCD00859261

Customs Code

2931900090

FAQ

What are the physical and chemical properties of (4-Propylphenyl)boronic acid (CAS: 134150-01-9)?

(4-Propylphenyl)boronic acid is a crystalline solid with a molecular weight of approximately 219.3 g/mol. It has a low solubility in water but is soluble in organic solvents such as methanol and ethanol. Chemically, it exhibits mild reactivity with nucleophiles and is often used in Suzuki coupling reactions. It has a pKa of around 7.5, indicating it is a weak acid.

How is (4-Propylphenyl)boronic acid (CAS: 134150-01-9) typically synthesized?

(4-Propylphenyl)boronic acid is typically synthesized via the reaction of 4-iodo-phenylboronic acid with sodium n-propoxide in the presence of a palladium catalyst. The reaction yields (4-Propylphenyl)boronic acid with good selectivity and moderate yield, making it a practical method for laboratory synthesis.

What industries use (4-Propylphenyl)boronic acid (CAS: 134150-01-9)?

(4-Propylphenyl)boronic acid is widely used in pharmaceuticals for its role in organic synthesis, particularly in Suzuki cross-coupling reactions. It also finds applications in the production of polymers and in the development of chemical sensors. Additionally, it is used in semiconductor manufacturing for specific surface functionalization processes.

What precautions should be taken when handling (4-Propylphenyl)boronic acid (CAS: 134150-01-9)?

When handling (4-Propylphenyl)boronic acid, it is important to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. The substance should be stored in a cool, dry place, away from direct sunlight and heat sources. In case of spills, they should be cleaned up immediately, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for detailed handling and storage instructions.